View EntryDate of entry : 30/05/2016

New insight on bismuth cuprates with incommensurate modulated structures.
Mironov Andrei, ; Petricek Vaclav, ; Khasanova Nellie, ; Antipov Evgenie, Acta Crystallographica, Section B 72 395 - 403 (2016)

[ B-IncStrDB ID: 11772EV1Tdj ]
 
Submitted by : Luis Elcoro [UPV/EHU]CIF File

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I

Chemical Properties

Common Name: bismuth strontium copper oxide   [Help]
Structural Formula Sum: Bi2.27 Cu1 O6.18 Sr1.73   [Help]
Structural Formula: Bi2.27 Sr1.73 Cu1 O6.18   [Help]
Weight: 788.5 Daltons  [Help]

Crystallographic Properties

a: 5.3869(5) Å  [Help]
b: 5.3874(4) Å  [Help]
c: 24.579(3) Å  [Help]
α: 90 °  [Help]
β: 90.01(10) °  [Help]
γ: 90 °  [Help]
Volume: 713.32(12) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name: A2/a(α0γ)00   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 71.577 &mm;  [Help]
Absorption-correction type: None   [Help]
Minimum transmission factor: 1   [Help]
Maximum transmission factor: 1   [Help]
Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: sealed tube   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 7115   [Help]
# of observed reflections: 4194   [Help]
Residual factor for the observed reflns.: 0.0407   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 293 K  [Help]
Radiation source: sealed tube   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
_diffrn_radiation_monochromator: graphite   [Help]
_diffrn_measurement_device_type: CAD4   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)